CCSD(T) geometry optimization with cartesian orbitals
I have to do a geoetry optimization of the CS2 molecule with the method CCSD(T)/aug-cc-pVTZ. But I get the error ` Reason: ERI does not work with Cartesian basis.` and to fix that `Only spherical-harmonic basis is implemented in ERI. Run TWOINT instead.`. When reading Dalton documentation, I though that Dalton uses TWOINT if the integrals are not in ERI by default. I tried to force TWOINT by adding:
```
*TWOINT
.TIME
```
in the .dal file.
I provide the dalton output file:
[ccsd_t-geo-opti_cs2_avtz_cartesian_optimized.out](/uploads/c3705834387f859b562f8e014afcefd2/ccsd_t-geo-opti_cs2_avtz_cartesian_optimized.out)
issue